tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate

C15H30N2O2 — CID 103781099

IUPACtert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
SMILESCC(CC1CCC1)NCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-12(11-13-7-5-8-13)16-9-6-10-17-14(18)19-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyHIGYGBKXEZSXMT-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.07
Rot. Bonds7

About tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate

tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate (PubChem CID 103781099) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
PubChem CID103781099
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
SMILESCC(CC1CCC1)NCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-12(11-13-7-5-8-13)16-9-6-10-17-14(18)19-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyHIGYGBKXEZSXMT-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
CID 107242908
tert-butyl N-[3-(1-aminopropan-2-ylamino)propyl]carbamate
CID 107241253
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-1-cyclopropylethyl]carbamate
CID 103905910
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-[3-(5-methylhexan-2-ylamino)propyl]carbamate
CID 81344613
tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
CID 81344324
tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride
CID 119031291
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)hexyl]carbamate
CID 107256507
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
CID 103387621
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate (CID 103781099) is tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate is CC(CC1CCC1)NCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate?
The InChIKey is HIGYGBKXEZSXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(11-13-7-5-8-13)16-9-6-10-17-14(18)19-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate?
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 103781099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).